Ergokonin C

Base Information

• Chemical Name: Ergokonin C
• CAS No.: 139471-01-5
• Molecular Formula: C32H49 N O6
• Molecular Weight: 543.75
• Mol file: 139471-01-5.mol

Synonyms:ergokonin C

Chemical Property of Ergokonin C

Chemical Property:

• Vapor Pressure: 3.99E-20mmHg at 25°C
• Boiling Point: 658.3°Cat760mmHg
• Flash Point: 351.9°C
• PSA: 122.38000
• Density: 1.19g/cm³
• LogP: 5.71010
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 543.35598828
• Heavy Atom Count: 39
• Complexity: 1090

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)C=CC(C)C1CCC2=C3C(CCC12C(=O)O)C4(CCC(CC45C(C3O)O5)OC(=O)C(C)(C)N)C
• Isomeric SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@@H]1CCC2=C3[C@H](CC[C@]12C(=O)O)[C@]4(CC[C@@H](C[C@@]45[C@@H]([C@@H]3O)O5)OC(=O)C(C)(C)N)C